COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041889
Chemical Name: 2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-5-(diethylammonio)phenolate
Smiles: COc1cccc(c1)c1c(nnn1c1nonc1N)C(=O)N/N=C/c1ccc(cc1[O-])[NH+](CC)CC

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Molecular Weight: 491.51
Empirical Formula: C23H25N9O4

Physical State: Dry powder
Available Amount: 258 mg

Lipinsky:
logP: 2.973
Rotatable bonds: 7
H-donors: 4
H-acceptors: 4
PSA: 173
Number of rings: 4

     

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